Information card for entry 7160087

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• Title of publication: Synthesis of indol-3-yl-benzofurans and carbazoles <i>via</i> Cu(OTf)₂-catalyzed [3 + 2] and [4 + 2] cycloaddition.
• Authors of publication: Chauhan, Amar Nath Singh; Vini, Vikrant; Kumar, Akhilesh; Erande, Rohan D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 6690 - 6694
• a: 16.79 ± 0.002 Å
• b: 9.1114 ± 0.0012 Å
• c: 10.3491 ± 0.0013 Å
• α: 90°
• β: 104.207 ± 0.005°
• γ: 90°
• Cell volume: 1534.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No